3-(5-chloranyl-2-nitro-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid

Systemtic Name: 3-(5-chloranyl-2-nitro-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid Openeye Name: 3-(5-chloro-2-nitro-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-[(5-chloro-2-nitrophenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-(5-chloro-2-nitrophenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[(5-chloro-2-nitro-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid Formula: C16H14ClNO6S MolecularWeight: 383.80346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C(=O)O)O)SC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(C(C(=O)O)O)SC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClNO6S/c1-24-11-5-2-9(3-6-11)15(14(19)16(20)21)25-13-8-10(17)4-7-12(13)18(22)23/h2-8,14-15,19H,1H3,(H,20,21)